Sugi Predict

Sugi Predict / Compounds / SCHEMBL20094563

SCHEMBL20094563

SCHEMBL20094563

CC(=O)OC1=CC=C(OC(C)=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ GLA P06280 1/20 0.38
▸ TSHR P16473 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PGR P06401 3/20 0.37
▸ ESR1 P03372 2/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ AR P10275 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ ELANE P08246 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18433275 0.89 LMNA (0.38) LMNAGLATSHRKDM4EALDH1A1
SCHEMBL22007000 0.84 LMNA (0.39) LMNAGLATSHRKDM4EALDH1A1
SCHEMBL14070609 0.81 MAPK1 (0.31) POLBMAPTPKMPTGS2
SCHEMBL16247813 0.78 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL2758566 0.78 GLA (0.33) LMNAGLATSHRKDM4EALDH1A1
SCHEMBL2533106 0.77 LMNA (0.38) LMNAGLATSHRKDM4EALDH1A1
SCHEMBL25113 0.77 — —
SCHEMBL6639439 0.77 GLA (0.38) LMNAGLAALDH1A1PGRESR1
SCHEMBL7338970 0.77 GLA (0.32) LMNAGLATSHRKDM4EALDH1A1
SCHEMBL31648648 0.76 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518726-B2 Synthesis of bicyclo[2.2.2]octane derivatives EASTMAN CHEMICAL COMPANY (US) 2022-12-06 — — US disclosed
CN-109843846-B Synthesis of bicyclo [2.2.2] octane 伊士曼化工公司 2022-07-05 — — CN disclosed
EP-3529230-B1 SYNTHESIS OF BICYCLO(2.2.2)OCTANES EASTMAN CHEM CO (US) 2020-09-30 — — EP disclosed
US-10633315-B2 Synthesis of bicyclo[2.2.2]octanes EASTMAN CHEMICAL COMPANY (US) 2020-04-28 — — US disclosed
US-20200039906-A1 SYNTHESIS OF BICYCLO[2.2.2]OCTANES EASTMAN CHEMICAL COMPANY (US) 2020-02-06 — — US disclosed
WO-2019075004-A1 SYNTHESIS OF BICYCLO[2.2.2]OCTANE DERIVATIVES EASTMAN CHEMICAL COMPANY (US) 2019-04-18 — — WO disclosed
WO-2018075301-A1 SYNTHESIS OF BICYCLO(2.2.2)OCTANES EASTMAN CHEMICAL COMPANY (US) 2018-04-26 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200039906-A1 SYNTHESIS OF BICYCLO[2.2.2]OCTANES PPOX, ODC1, AOC2 LMNA 4470/4885GLA 4074/4885TSHR 3951/4885
US-10633315-B2 Synthesis of bicyclo[2.2.2]octanes PPOX, ODC1, AOC2 LMNA 4470/4885GLA 4074/4885TSHR 3951/4885
US-11518726-B2 Synthesis of bicyclo[2.2.2]octane derivatives SCO2, AOC2, ODC1 LMNA 3184/4885GLA 3697/4885TSHR 4297/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.